(3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile

C15H29NOSi2 — CID 11087733

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile
SMILESCC(C)(C)[Si](C)(C)O[C@H](CC#N)CC#C[Si](C)(C)C
InChIInChI=1S/C15H29NOSi2/c1-15(2,3)19(7,8)17-14(11-12-16)10-9-13-18(4,5)6/h14H,10-11H2,1-8H3/t14-/m0/s1
InChIKeyDYXWQCAOBFVDJA-AWEZNQCLSA-N
MW295.57 g/mol
LogP4.56
Rot. Bonds4

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile (PubChem CID 11087733) has the molecular formula C15H29NOSi2 and a molecular weight of 295.57 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile
PubChem CID11087733
Molecular FormulaC15H29NOSi2
Molecular Weight295.57 g/mol
Exact Mass295.18
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile
SMILESCC(C)(C)[Si](C)(C)O[C@H](CC#N)CC#C[Si](C)(C)C
InChIInChI=1S/C15H29NOSi2/c1-15(2,3)19(7,8)17-14(11-12-16)10-9-13-18(4,5)6/h14H,10-11H2,1-8H3/t14-/m0/s1
InChIKeyDYXWQCAOBFVDJA-AWEZNQCLSA-N
XLogP4.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.57
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile
CID 5097328
2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
CID 58461604
tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane
CID 10905275
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-ynal
CID 11067797
tert-butyl-dimethyl-oct-5-yn-3-yloxysilane
CID 88749377
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741
(3R)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile
CID 76764362
3,9,11,12-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilyldodeca-1,7-diyn-5-ol
CID 72827935
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhept-6-enenitrile
CID 11026012
5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile
CID 123172359
(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile
CID 101210753
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile (CID 11087733) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile is CC(C)(C)[Si](C)(C)O[C@H](CC#N)CC#C[Si](C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile?
The InChIKey is DYXWQCAOBFVDJA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29NOSi2/c1-15(2,3)19(7,8)17-14(11-12-16)10-9-13-18(4,5)6/h14H,10-11H2,1-8H3/t14-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile has a molecular weight of 295.57 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile is sourced from PubChem (CID 11087733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).